Litcius/Paper detail

Design and synthesis of heterocyclic azole based bioactive compounds: Molecular structures, quantum simulation, and mechanistic studies through docking as multi-target inhibitors of SARS-CoV-2 and cytotoxicity

Jebiti Haribabu, Vasavi Garisetti, Rahime Eshaghi Malekshah, Srividya Swaminathan, D. Gayathri, Nattamai Bhuvanesh, Ramalinga Viswanathan Mangalaraja, César Echeverría, Ramasamy Karvembu

2021Journal of Molecular Structure63 citationsDOIOpen Access PDF

Topics & Concepts

ChemistryMolecular dynamicsDocking (animal)PharmacophoreStereochemistryAzoleComputational chemistryMethyleneOrganic chemistryAntifungalDermatologyMedicineNursingSynthesis and biological activityComputational Drug Discovery MethodsSynthesis and Characterization of Heterocyclic Compounds
Design and synthesis of heterocyclic azole based bioactive compounds: Molecular structures, quantum simulation, and mechanistic studies through docking as multi-target inhibitors of SARS-CoV-2 and cytotoxicity | Litcius